1-(10-bromodecoxy)-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene

C24H30BrClO — CID 10253191

IUPAC1-(10-bromodecoxy)-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene
SMILESClc1ccc(/C=C/c2ccc(OCCCCCCCCCCBr)cc2)cc1
InChIInChI=1S/C24H30BrClO/c25-19-7-5-3-1-2-4-6-8-20-27-24-17-13-22(14-18-24)10-9-21-11-15-23(26)16-12-21/h9-18H,1-8,19-20H2/b10-9+
InChIKeyPOIIIAFUYXSFRX-MDZDMXLPSA-N
MW449.86 g/mol
LogP8.40
Rot. Bonds13

About 1-(10-bromodecoxy)-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene

1-(10-bromodecoxy)-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene (PubChem CID 10253191) has the molecular formula C24H30BrClO and a molecular weight of 449.86 g/mol. Its IUPAC name is 1-(10-bromodecoxy)-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-(10-bromodecoxy)-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene
PubChem CID10253191
Molecular FormulaC24H30BrClO
Molecular Weight449.86 g/mol
Exact Mass448.12
IUPAC Name1-(10-bromodecoxy)-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene
SMILESClc1ccc(/C=C/c2ccc(OCCCCCCCCCCBr)cc2)cc1
InChIInChI=1S/C24H30BrClO/c25-19-7-5-3-1-2-4-6-8-20-27-24-17-13-22(14-18-24)10-9-21-11-15-23(26)16-12-21/h9-18H,1-8,19-20H2/b10-9+
InChIKeyPOIIIAFUYXSFRX-MDZDMXLPSA-N
XLogP8.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.86
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-(10-bromodecoxy)benzaldehyde
CID 71345265
(E)-4-[4-(8-bromooctoxy)phenyl]but-3-en-2-one
CID 118112272
1-(4-chlorophenyl)-3-(4-octadecoxyphenyl)prop-2-en-1-one
CID 139681232
CID 147476993
CID 147476993
1-(20-bromoicosoxy)-4-methoxybenzene
CID 15444591
1-(11-bromoundecoxy)-4-methylbenzene
CID 67541191
1-(9-bromononoxy)-4-methylbenzene
CID 105343245
3-[(E)-2-[1-[10-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]decyl]pyridin-1-ium-4-yl]ethenyl]phenol
CID 10372040
(E)-3-[4-(3-bromopropoxy)phenyl]-1-(4-hexadecoxyphenyl)prop-2-en-1-one
CID 101163513
1-(8-bromooctoxy)-3-chlorobenzene
CID 131871951
1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101334756
4-(4-bromobutoxy)benzaldehyde;4-hydroxybenzaldehyde
CID 162220767

Frequently Asked Questions

What is the IUPAC name of 1-(10-bromodecoxy)-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene?
The IUPAC name of 1-(10-bromodecoxy)-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene (CID 10253191) is 1-(10-bromodecoxy)-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene.
What is the SMILES notation for 1-(10-bromodecoxy)-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene?
The canonical SMILES for 1-(10-bromodecoxy)-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene is Clc1ccc(/C=C/c2ccc(OCCCCCCCCCCBr)cc2)cc1.
What is the InChIKey of 1-(10-bromodecoxy)-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene?
The InChIKey is POIIIAFUYXSFRX-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H30BrClO/c25-19-7-5-3-1-2-4-6-8-20-27-24-17-13-22(14-18-24)10-9-21-11-15-23(26)16-12-21/h9-18H,1-8,19-20H2/b10-9+.
What are the key properties of 1-(10-bromodecoxy)-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene?
1-(10-bromodecoxy)-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene has a molecular weight of 449.86 g/mol, XLogP of 8.40, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-bromodecoxy)-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene is sourced from PubChem (CID 10253191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).